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cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl 2-ethylhexyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl 2-ethylhexyl ester
SpectraBase Compound ID Fgu05iH2bmI
InChI InChI=1S/C26H46O4/c1-4-7-9-10-11-12-13-16-20-29-25(27)23-18-14-15-19-24(23)26(28)30-21-22(6-3)17-8-5-2/h14-15,22-24H,4-13,16-21H2,1-3H3
InChIKey CADIHWBXVDTATO-UHFFFAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C26H46O4
Exact Mass 422.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31259J2E9LE
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.339609957 u
Formula C26H46O4
InChI InChI=1S/C26H46O4/c1-4-7-9-10-11-12-13-16-20-29-25(27)23-18-14-15-19-24(23)26(28)30-21-22(6-3)17-8-5-2/h14-15,22-24H,4-13,16-21H2,1-3H3
InChIKey CADIHWBXVDTATO-UHFFFAOYSA-N
Molecular Weight 422.650 g/mol
SMILES C=1CC(C(CC1)C(OCC(CCCC)CC)=O)C(=O)OCCCCCCCCCC